CID 212898

Piperidine, 1-(1h-benzimidazol-2-ylthio)-

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1CCN(CC1)SC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H15N3S/c1-4-8-15(9-5-1)16-12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,13,14)
InChIKey
OQXJJUZITCLMST-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

233.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10594 149.2
[M+Na]+ 256.08788 157.7
[M-H]- 232.09138 151.4
[M+NH4]+ 251.13248 165.9
[M+K]+ 272.06182 152.2
[M+H-H2O]+ 216.09592 141.3
[M+HCOO]- 278.09686 162.0
[M+CH3COO]- 292.11251 160.3
[M+Na-2H]- 254.07333 152.4
[M]+ 233.09811 147.1
[M]- 233.09921 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe